ChemicalBook--->CAS DataBase List--->583840-03-3

583840-03-3

583840-03-3 Structure

583840-03-3 Structure
IdentificationBack Directory
[Name]

SORAFENIB N-OXIDE
[CAS]

583840-03-3
[Synonyms]

SORAFENIB N-OXIDE
Sorafenib impurities11
Sorafenib impurities172
Sorafenib Impurity 27(Sorafenib N-Oxide)
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-2-(methylcarbamoyl)pyridine 1-oxide
4-[4-[[[[4-Chloro-3-(trifluoroMethyl)phenyl]aMino]carbonyl]aMino]phenoxy]-N-Methyl-2-pyridinecarboxaMide 1-Oxide
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-, 1-oxide
Sorafenib impurity 23/Sorafenib N-Oxide/4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-2-(methylcarbamoyl)pyridine 1-oxide
[Molecular Formula]

C21H16ClF3N4O4
[MDL Number]

MFCD09841275
[MOL File]

583840-03-3.mol
[Molecular Weight]

480.82
Chemical PropertiesBack Directory
[Melting point ]

220-222oC
[Boiling point ]

591.7±50.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO: soluble; Methanol: very slightly soluble, heated
[form ]

A solid
[pka]

12.89±0.70(Predicted)
[color ]

white to off-white
[biological source]

synthetic
[Major Application]

clinical research
general analytical
life science and biopharma
metabolomics
[InChI]

1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31)
[InChIKey]

BQAZCCVUZDIZDC-UHFFFAOYSA-N
[SMILES]

CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-]
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

A metabolite of Sorafenib, a potent Raf kinase inhibitor.
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